| SpectraBase Compound ID | 3dmm0PfFMFi |
|---|---|
| InChI | InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1 |
| InChIKey | SSDNUGHQUZHHEE-YGUMODFPSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C27H48N2O2 |
| Exact Mass | 432.371579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jLkZ7ul3eE |
|---|---|
| Name | SOLACAPINE |
| CAS Registry Number | 63785-22-8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H48N2O2 |
| InChI | InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1 |
| InChIKey | SSDNUGHQUZHHEE-YGUMODFPSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,B.DAS,E.ALI,S.C.PAKRASHI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,467(1984) |
| Literature Reference DOI | 10.1039/p19840000467 |
| Molecular Weight | 432.690 g/mol |
| Solvent | CDCl3:CD3OD=3:1 |
| Source File Reference | UNIW17199 |